3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide

C16H21N3O2 — CID 43393264

IUPAC3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC1CCC(O)CC1
InChIInChI=1S/C16H21N3O2/c20-12-7-5-11(6-8-12)17-16(21)10-9-15-18-13-3-1-2-4-14(13)19-15/h1-4,11-12,20H,5-10H2,(H,17,21)(H,18,19)
InChIKeyCNDLMILPSSTTFU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.92
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 43393264) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
PubChem CID43393264
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC1CCC(O)CC1
InChIInChI=1S/C16H21N3O2/c20-12-7-5-11(6-8-12)17-16(21)10-9-15-18-13-3-1-2-4-14(13)19-15/h1-4,11-12,20H,5-10H2,(H,17,21)(H,18,19)
InChIKeyCNDLMILPSSTTFU-UHFFFAOYSA-N
XLogP1.92
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943172
4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 46456209
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 30902394
N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 43394595
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
3-(1H-benzimidazol-2-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide
CID 134804836
3-(1H-benzimidazol-2-yl)-N-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 139000133
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide (CID 43393264) is 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)NC1CCC(O)CC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is CNDLMILPSSTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-12-7-5-11(6-8-12)17-16(21)10-9-15-18-13-3-1-2-4-14(13)19-15/h1-4,11-12,20H,5-10H2,(H,17,21)(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 43393264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).